Trimethylammonium

Trimethylammonium

SCHEMBL7550558

CN(C)C.CN(C)C.Nc1ccc(Cc2ccc(N)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
RECQL P46063 2/20 0.44
ESR2 Q92731 1/20 0.44
GAA P10253 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
ALDH1A1 P00352 6/20 0.43
CDC25B P30305 3/20 0.43
CASP6 P55212 2/20 0.43
RCE1 Q9Y256 1/20 0.43
HSD17B10 Q99714 4/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.40
CDC25A P30304 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8400669 0.93 GAA (0.50) POLBRECQLESR2GAAKDM4E
Ammonia Solution, Strong SCHEMBL7547968 0.91 GAA (0.48) POLBRECQLESR2GAAKDM4E
SCHEMBL7550164 0.89 CTDSP1 (0.44) POLBRECQLESR2GAAKDM4E
SCHEMBL13071938 0.87 POLB (0.59) POLBRECQLESR2GAAKDM4E
SCHEMBL7550180 0.84 MAPT (0.42) POLBRECQLESR2GAAKDM4E
SCHEMBL7555699 0.82 CTDSP1 (0.40) POLBRECQLESR2GAAKDM4E
SCHEMBL8747645 0.82 CTDSP1 (0.49) POLBRECQLESR2GAAKDM4E
SCHEMBL4649732 0.81 CTDSP1 (0.46) POLBRECQLESR2GAAKDM4E
Trimethylammonium SCHEMBL7549140 0.80 RAPGEF4 (0.49) POLBRECQLGAAKDM4EMAPT
Trimethylammonium SCHEMBL7549144 0.80 RAPGEF4 (0.49) POLBRECQLGAAKDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747418-B1 Aromatic polyimide and gas separation UBE INDUSTRIES (JP) 2002-07-03 EP disclosed
US-5744575-A Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
EP-0747418-A1 Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1996-12-11 EP disclosed